4-(3-Nitrophenyl)-4-oxobutanoic acid
TL;DR: 4-(3-Nitrophenyl)-4-oxobutanoic acid (CAS 70974-48-0) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)-4-oxobutanoic acid
Also Known As: 4-(3-Nitrophenyl)-4-oxobutanoic acid, 3-Nitro-gamma-oxo-benzenebutanoic acid, 3-(m-Nitrobenzoyl)propionic acid, Propionic acid, 3-(m-nitrobenzoyl)-, 3-nitro-
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 70974-48-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCC(=O)O |
| InChIKey | VNDVLOPITGDGOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Nitrophenyl)-4-oxobutanoic acid (CAS 70974-48-0), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: 4-(3-nitrophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Nitrophenyl)-4-oxobutanoic acid
Property Insights of 4-(3-Nitrophenyl)-4-oxobutanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Nitrophenyl)-4-oxobutanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Nitrophenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Nitrophenyl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-Nitrophenyl)-4-oxobutanoic acid?
The CAS number of 4-(3-Nitrophenyl)-4-oxobutanoic acid is 70974-48-0.
What is the molecular formula of 4-(3-Nitrophenyl)-4-oxobutanoic acid?
The molecular formula of 4-(3-Nitrophenyl)-4-oxobutanoic acid is C10H9NO5.
What is the molecular weight of 4-(3-Nitrophenyl)-4-oxobutanoic acid?
The molecular weight of 4-(3-Nitrophenyl)-4-oxobutanoic acid is 223.05 g/mol.
Where can I buy 4-(3-Nitrophenyl)-4-oxobutanoic acid?
You can request a quote for 4-(3-Nitrophenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Nitrophenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Nitrophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.